| CAS Number | 84899-60-5 |
| Catalog Number | AG00G9MA(AGN-PC-0UV7YN) |
| Chemical Name | Benzyl N-[(1S)-1-(propylcarbamoyl)ethyl]carbamate |
| IUPAC Name | benzyl N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]carbamate |
| InChI | InChI=1S/C14H20N2O3/c1-3-9-15-13(17)11(2)16-14(18)19-10-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,15,17)(H,16,18)/t11-/m0/s1 |
| InChI Key | QTULOXLTYMFRQZ-NSHDSACASA-N |
| MDL Number | MFCD10825284 |
| Molecular Formula | C14H20N2O3 |
| Molecular Weight | 264.3202 |
| SMILES | CCCNC(=O)[C@@H](NC(=O)OCc1ccccc1)C |
| Synonyms | BENZYL N-[(1S)-1-(PROPYLCARBAMOYL)ETHYL]CARBAMATE,
84899-60-5,
SCHEMBL10957418,
KM2243,
ZINC21870429,
AKOS026673829,
MCULE-3379881927,
CJ-16968,
V7973,
Z183048636,
C14H20N2O3,
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| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.325g/mol |
| Monoisotopic Mass | 264.147g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number